Calculate expected λmax for the linear conjugated polyene C9H12 (4 double bonds, 4 single bonds). Clearly describe your assumptions and calculation method.
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- For monocyclic conjugated polyenes (such as cyclobutadiene and benzene) with each of N carbon atoms contributing an electron in a 2p orbital, Huckel theory gives the fol lowing expression for the energies Ek of the resulting π molecular orbitals Calculate the energies of the 1t molecular orbitals of benzene and cyclooctatetraene. Comment on the presenceor absence of degenerate energy levels. (b) Ca lcu late and compare the delocalization energies of benzene and hexatriene using the expression from the preceding problem. What do you conclude from your results? (c) Calculate and compare the delocalization energies of cyclooctatetraeneand (linear) octatetraene. Are your conclusions for th is pair of molecules the same as for the pair of molecules investigated in part (b)?Based on the relative likelihood of these possibilities and any other potential structures that YOU can draw, determine the bond order for the first N—N bond. If your answer is a fraction, use that fraction as the decimal equivalent (i.e. 1 1/4 = 1.25, etc.)C₆H₁₂0₆ have asymmetric carbonal. Predict how many are there
- TOPIC: QUANTUM, ATOMIC AND MOLECULAR PHYSICIS (a) Using Hückel's method, describe the energy of the molecular orbitals T of cyclobutadiene C4H4, which is a flat molecule made up of a square ring of carbons, as shown in the figure; (b) Do the same for 1,3-butadiene C4H6, which is an elongated planar molecule, as shown in the figure. (c) In both cases, draw an energy diagram indicating the filling of the orbitals and identifying the HOMO and the LUMO. Sketch by hand schematically (using two colors to distinguish the lobes from the 2pz orbitals) the result obtained for the orbitals, identifying them with the corresponding energy. If possible, you can use the Orbital Viewer program to plot the orbitals.In the highest energy TT MO of 1,3-butadiene nodes are found.app.101edu.co 1 ľª H- ! Q A C=N N 2 Click to edit molecule F2 W S X H Draw the Lewis structure of CH,NOH and then choose the appropriate set of hybridization states for the three central atoms. Your answer choice is independent of the orientation of your drawn structure. ³0-4 # 3 80 F3 E D C H 4 000 000 F4 R F JO LO % 5 V F5 T G3 Convert the following infrared wavelengths to cm-1. 3.38 mm, typical for a saturated C¬H bondfor a molecule cyclic benzene (C6H6) present a drawing of the hybridized atomic orbital using VBT approach. Comment on degree of un-saturationCalculate the wavelength pf light that is absorbed when a n electron in the molecule CH2=CH-CH=CH-CH=CH-CH=CH-CH=CH2 is promoted from the HOMO to the LUMO. The average bond length can be taken to be 144 pm. SHOW ALL YOUR WORK, INCLUDING HOW YOU CHOSE THE HOMO AND LUMO.How many π bonds are there in 1,2-propadiene (H-C=C=C-H)?The FEMO theory of conjugated molecules is crude and marginally better results are obtained with simple Huckel theory. (a) For a linear conjugated polyene with each of N carbon atoms contributing an electron in a 2porbital, the energies Ek of the resulting π molecular orbitals are given by: Ek = α + 2β cos kπ/N+1 k = 1,2,3, ... N Use this expression to estimate the resonance integral β for the series consisting of ethene, butadiene, hexatriene, and octatetraene given that ult raviolet absorptions from the HOMO, which is a bonding π orbital, to the LUMO, which is an antibonding π* orbital, occur at 61 500, 46 080, 39 750,and 32 900 cm- 1, respectively. (b) Calculate the π-electron delocalization energy, Edelcc = Eπ -n(α + β). of octatetraene, where Eπ, is the total π-electron binding energy and n is the total number of π-electrons.If [CH4}) = 0.1M; [O2] = 0.25M\[CO2 ]= 0.35M and [H2O] = 0.15M what is the value of Qc?SEE MORE QUESTIONS
